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Belahlou, Hadjer
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article
Crystal Structure, Hirhfeld Surface Analysis and IR Analysis of 2-Amino-1,9-Dihydro-6H-Purin-6-One-Selenate-Water
Abstract
A new guanine complex was synthesized and the structure was elucidated by SXRD and IR spectroscopic methods. Single-crystal X-ray diffraction analysis (SXRD) was used to describe the crystal structure. Triclinic, in the space group P (1) over bar, with the following properties: a = 9.5945(3) angstrom, b = 13.1171(3) angstrom, c = 14.1905(3) angstrom, alpha = 79.756(2)degrees, beta = 82.036(2)degrees, gamma = 84.902(2)degrees, V = 1736.70(8) degrees(3), Z = 2. N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds connect the molecules in the crystal, creating a three-dimensional supramolecular framework. The title structure is stabilized by the intra and intermolecular strong hydrogen bonds, according to a Hirshfeld surface analysis of the recorded intermolecular interactions. For the title complex, the two main interactions are H center dot center dot center dot O/O center dot center dot center dot H (36.5%) and H center dot center dot center dot H (23.7%).